2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3009-4185 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 594.23 |
| Molecular Formula: | C26 H16 Cl4 N2 O6 |
| Smiles: | CCOc1ccc(cc1)N1C(C(C1=O)N1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2314 |
| logD: | 5.2314 |
| logSw: | -6.8817 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.094 |
| InChI Key: | RPWRFHRDEGIJQZ-UHFFFAOYSA-N |